(4-methoxyphenyl)-[6-(4-methoxyphenyl)-2,4-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanone

C32H28O3S — CID 13001179

IUPAC(4-methoxyphenyl)-[6-(4-methoxyphenyl)-2,4-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanone
SMILESCOc1ccc(C(=O)C2C(c3ccccc3)C=C(c3ccc(OC)cc3)SC2c2ccccc2)cc1
InChIInChI=1S/C32H28O3S/c1-34-26-17-13-23(14-18-26)29-21-28(22-9-5-3-6-10-22)30(32(36-29)25-11-7-4-8-12-25)31(33)24-15-19-27(35-2)20-16-24/h3-21,28,30,32H,1-2H3
InChIKeyVNWMVIIGFXXQLI-UHFFFAOYSA-N
MW492.64 g/mol
LogP7.82
Rot. Bonds7

About (4-methoxyphenyl)-[6-(4-methoxyphenyl)-2,4-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanone

(4-methoxyphenyl)-[6-(4-methoxyphenyl)-2,4-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanone (PubChem CID 13001179) has the molecular formula C32H28O3S and a molecular weight of 492.64 g/mol. Its IUPAC name is (4-methoxyphenyl)-[6-(4-methoxyphenyl)-2,4-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[6-(4-methoxyphenyl)-2,4-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanone
PubChem CID13001179
Molecular FormulaC32H28O3S
Molecular Weight492.64 g/mol
Exact Mass492.18
IUPAC Name(4-methoxyphenyl)-[6-(4-methoxyphenyl)-2,4-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanone
SMILESCOc1ccc(C(=O)C2C(c3ccccc3)C=C(c3ccc(OC)cc3)SC2c2ccccc2)cc1
InChIInChI=1S/C32H28O3S/c1-34-26-17-13-23(14-18-26)29-21-28(22-9-5-3-6-10-22)30(32(36-29)25-11-7-4-8-12-25)31(33)24-15-19-27(35-2)20-16-24/h3-21,28,30,32H,1-2H3
InChIKeyVNWMVIIGFXXQLI-UHFFFAOYSA-N
XLogP7.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.64
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-methoxyphenyl)-[6-(4-methoxyphenyl)-2,4-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[6-(4-methoxyphenyl)-2,4-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanone?
The IUPAC name of (4-methoxyphenyl)-[6-(4-methoxyphenyl)-2,4-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanone (CID 13001179) is (4-methoxyphenyl)-[6-(4-methoxyphenyl)-2,4-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[6-(4-methoxyphenyl)-2,4-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[6-(4-methoxyphenyl)-2,4-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanone is COc1ccc(C(=O)C2C(c3ccccc3)C=C(c3ccc(OC)cc3)SC2c2ccccc2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[6-(4-methoxyphenyl)-2,4-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanone?
The InChIKey is VNWMVIIGFXXQLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H28O3S/c1-34-26-17-13-23(14-18-26)29-21-28(22-9-5-3-6-10-22)30(32(36-29)25-11-7-4-8-12-25)31(33)24-15-19-27(35-2)20-16-24/h3-21,28,30,32H,1-2H3.
What are the key properties of (4-methoxyphenyl)-[6-(4-methoxyphenyl)-2,4-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanone?
(4-methoxyphenyl)-[6-(4-methoxyphenyl)-2,4-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanone has a molecular weight of 492.64 g/mol, XLogP of 7.82, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[6-(4-methoxyphenyl)-2,4-diphenyl-3,4-dihydro-2H-thiopyran-3-yl]methanone is sourced from PubChem (CID 13001179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).